General Information of the Compound
| Compound ID |
CP0303871
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| Compound Name |
2-{[2-({4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}amino)ethyl](2-hydroxyethyl)amino}ethan-1-ol
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| Structure |
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| Formula |
C19H23BrN6O2
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| Molecular Weight |
447.337
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| Canonical SMILES |
OCCN(CCO)CCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1
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| InChI |
InChI=1S/C19H23BrN6O2/c20-14-2-1-3-15(10-14)25-19-16-11-18(22-12-17(16)23-13-24-19)21-4-5-26(6-8-27)7-9-28/h1-3,10-13,27-28H,4-9H2,(H,21,22)(H,23,24,25)
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| InChIKey |
HESSFGACSQOVPK-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound